6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide

C20H24Cl2N4O — CID 155095783

IUPAC6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide
SMILESCc1nc(N(C)C2CCC(N)CC2)cc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H24Cl2N4O/c1-11-18(14-4-3-5-16(21)19(14)22)15(20(24)27)10-17(25-11)26(2)13-8-6-12(23)7-9-13/h3-5,10,12-13H,6-9,23H2,1-2H3,(H2,24,27)
InChIKeyZIBGSXLCGSPZTE-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.17
Rot. Bonds4

About 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide

6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide (PubChem CID 155095783) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide
PubChem CID155095783
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide
SMILESCc1nc(N(C)C2CCC(N)CC2)cc(C(N)=O)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H24Cl2N4O/c1-11-18(14-4-3-5-16(21)19(14)22)15(20(24)27)10-17(25-11)26(2)13-8-6-12(23)7-9-13/h3-5,10,12-13H,6-9,23H2,1-2H3,(H2,24,27)
InChIKeyZIBGSXLCGSPZTE-UHFFFAOYSA-N
XLogP4.17
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide (CID 155095783) is 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide is Cc1nc(N(C)C2CCC(N)CC2)cc(C(N)=O)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide?
The InChIKey is ZIBGSXLCGSPZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-11-18(14-4-3-5-16(21)19(14)22)15(20(24)27)10-17(25-11)26(2)13-8-6-12(23)7-9-13/h3-5,10,12-13H,6-9,23H2,1-2H3,(H2,24,27).
What are the key properties of 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide?
6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)-methylamino]-3-(2,3-dichlorophenyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 155095783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).